› 6kjr

X-ray diffraction
2.36Å resolution

Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors

Released:
DOI: 10.2210/pdb6kjr/pdb
PDB 6kjr coloured by chain and viewed from the front.
PDB 6kjr coloured by chain and viewed from the side.
PDB 6kjr coloured by chain and viewed from the top.
Source organism: Jeotgalibacillus marinus
Primary publication:
Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
Xiao F, Dong S, Liu Y, Feng Y, Li H, Yun CH, Cui Q, Li W
J Am Chem Soc 142 16031-16038 (2020)
PMID: 32803979

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Beta-lactamase domain-containing protein Chain: A
Molecule details ›
Chain: A
Length: 391 amino acids
Theoretical weight: 44.22 KDa
Source organism: Jeotgalibacillus marinus
Expression system: Escherichia coli
UniProt:
  • Canonical: A0A0U1X4V6 (Residues: 13-375; Coverage: 97%)
Gene name: mlnI
Sequence domains: Beta-lactamase

Ligands and Environments

1 bound ligand:
Ligand D9O 1 x D9O
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U1
Spacegroup: P4212
Unit cell:
a: 117.947Å b: 117.947Å c: 52.222Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.19 0.184 0.243
Expression system: Escherichia coli

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